CrystalMaker is a really cool tool which can do that kind of thing. It's
graphical and reads cif files. You can use it
to make a superlattice then edit out the atoms you don't want. There's also
the command-line cif2cell tool which I know
can make slabs, so it can surely carve out nanos bounded by given crystal
planes. I assume the bulk is the rocksalt
structure, in which case you'd want to bound by 111-family planes to get an
octahedron or tetrahedron or 100 for a cube.
For a cuboctahedron or something similar, you'd need to make a combination of
cuts.
Sincerely,
Matthew Marcus
On 6/15/2021 11:55 AM, Lorenzo Paulatto wrote:
Hello Shivam,
you can use some graphical tool, probably, or do it by hand. I personally do
not use any external tool, I cannot advice you there. With some simple
computing software like matlab/octave, or python or even excel, it does not
take that long, and it becomes easier every time.
Once you have put all the atoms in the right place, be sure to put them in a
large enough cell to have 10-20Å of vacuum around to avoid images from
interacting.
kind regards
--
Lorenzo Paulatto - Paris
On Jun 15 2021, at 9:49 am, Shivam Kansara <[email protected]> wrote:
Dear all,
I am Shivam Kansara and wish to work on nanoparticle systems. I wish to
make a bulk system into nanoparticles (0D). So how to make nanoparticles from
bulk systems e.g. FeO or CoO. ?
Please help me in this regard.
Thanking you in advance
--
*-- With Regards*
Dr. Shivam Kansara
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06/15/21, 12:35:48 PM
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